Compound Detail
CHEMBL4097164
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Basic Information
| ChEMBL ID | CHEMBL4097164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZODAPYZWYREKGK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.62
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay | 29155580 |
| Bromodomain-containing protein 4 | IC50 | = | 74000.0 | nM | 4.13 | Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-F... | 29155580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29155580 | 10.1021/acs.jmedchem.7b01372 | CREB-binding protein | 1 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | Bromodomain-containing protein 4 | 1 |
| 29155580 | 10.1021/acs.jmedchem.7b01372 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine